Marvin  10301216032D          

  9  9  0  0  0  0            999 V2000
    7.8176   -2.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8614   -1.7383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9678   -3.3272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553   -2.0578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6352   -2.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4198   -3.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3803   -2.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3003   -2.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0329   -2.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
> <ID>
CHEBI:43615

> <NAME>
2H-imidazol-4-ylacetic acid

> <DEFINITION>
An imidazolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2H-imidazol-4-yl group.

> <STAR>
3

> <SYNONYM>
2-(2H-imidazol-4-yl)ethanoic acid

> <IUPAC_NAME>
2H-imidazol-4-ylacetic acid

> <FORMULA>
C5H6N2O2

> <MASS>
126.11330

> <MONOISOTOPIC_MASS>
126.04293

> <CHARGE>
0

> <SMILES>
OC(=O)CC1=NCN=C1

> <INCHI>
InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2H,1,3H2,(H,8,9)

> <INCHIKEY>
RMEAVYUMFHJQAD-UHFFFAOYSA-N

> <PDBECHEM_ACCESSION>
IZC

> <PUBMED_CITATION>
22770225

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